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The Drug Ontology
Last uploaded:
December 20, 2024
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| Id | http://purl.obolibrary.org/obo/CHEBI_63634
http://purl.obolibrary.org/obo/CHEBI_63634
|
|---|---|
| Preferred Name | valdecoxib |
| Definitions |
A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke.
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| Synonyms |
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
valdecoxibum
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
Bextra
valdecoxib
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke. |
|---|---|
| label |
valdecoxib
|
| prefLabel |
valdecoxib
|
| database_cross_reference |
CAS:181695-72-7
PMID:20467258
PMID:21073910
Drug_Central:2799
PDBeChem:COX
PMID:21769548
Wikipedia:Valdecoxib
PMID:21720517
KEGG:D02709
LINCS:LSM-5305
HMDB:HMDB0005033
PMID:20717044
DrugBank:DB00580
Reaxys:8563786
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|
| notation |
CHEBI:63634
|
| in_subset | |
| inchi |
InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
|
| has_related_synonym |
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
valdecoxibum
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
Bextra
valdecoxib
|
| id |
CHEBI:63634
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C16H14N2O3S
|
| subClassOf | |
| inchikey |
LNPDTQAFDNKSHK-UHFFFAOYSA-N
|
| mass |
314.35900
|
| monoisotopicmass |
314.07251
|
| has_alternative_id |
CHEBI:41662
|
| type | |
| smiles |
Cc1onc(-c2ccccc2)c1-c1ccc(cc1)S(N)(=O)=O
|
| has_RxCUI |
278567
|
| has role | |
| has_exact_synonym |
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
|
| has characteristic | |
| alternative label |
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
valdecoxibum
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
Bextra
valdecoxib
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
See more
See less
|
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